4-[5,6-bis(ethenyl)-3-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrazin-2-yl]benzonitrile

C44H30N4 — CID 153354944

IUPAC4-[5,6-bis(ethenyl)-3-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrazin-2-yl]benzonitrile
SMILESC=Cc1nc(-c2ccc(C#N)cc2)c(-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(-c5ccccc5)cc4)n3)cc2)nc1C=C
InChIInChI=1S/C44H30N4/c1-3-39-40(4-2)48-44(43(47-39)36-17-15-30(29-45)16-18-36)37-25-23-35(24-26-37)42-28-38(32-13-9-6-10-14-32)27-41(46-42)34-21-19-33(20-22-34)31-11-7-5-8-12-31/h3-28H,1-2H2
InChIKeyILNOXMGBEIDHQN-UHFFFAOYSA-N
MW614.75 g/mol
LogP11.03
Rot. Bonds8

About 4-[5,6-bis(ethenyl)-3-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrazin-2-yl]benzonitrile

4-[5,6-bis(ethenyl)-3-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrazin-2-yl]benzonitrile (PubChem CID 153354944) has the molecular formula C44H30N4 and a molecular weight of 614.75 g/mol. Its IUPAC name is 4-[5,6-bis(ethenyl)-3-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrazin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[5,6-bis(ethenyl)-3-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrazin-2-yl]benzonitrile
PubChem CID153354944
Molecular FormulaC44H30N4
Molecular Weight614.75 g/mol
Exact Mass614.25
IUPAC Name4-[5,6-bis(ethenyl)-3-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrazin-2-yl]benzonitrile
SMILESC=Cc1nc(-c2ccc(C#N)cc2)c(-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(-c5ccccc5)cc4)n3)cc2)nc1C=C
InChIInChI=1S/C44H30N4/c1-3-39-40(4-2)48-44(43(47-39)36-17-15-30(29-45)16-18-36)37-25-23-35(24-26-37)42-28-38(32-13-9-6-10-14-32)27-41(46-42)34-21-19-33(20-22-34)31-11-7-5-8-12-31/h3-28H,1-2H2
InChIKeyILNOXMGBEIDHQN-UHFFFAOYSA-N
XLogP11.03
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[5-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-5,6-bis(ethenyl)pyrazin-2-yl]benzonitrile
CID 153355009
3-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5,6-bis(ethenyl)pyrazin-2-yl]phenyl]benzonitrile
CID 153354898
4-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]quinoxalin-2-yl]phenyl]benzonitrile
CID 153355034
4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 146653688
4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]quinoxalin-2-yl]benzonitrile
CID 152941236
4-[4-(4-ethenylphenyl)phenyl]-2,6-bis(4-phenylphenyl)pyridine
CID 58151660
7-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]naphthalene-2-carbonitrile
CID 142488033
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
CID 121311684
2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine
CID 154599724
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331

Frequently Asked Questions

What is the IUPAC name of 4-[5,6-bis(ethenyl)-3-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrazin-2-yl]benzonitrile?
The IUPAC name of 4-[5,6-bis(ethenyl)-3-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrazin-2-yl]benzonitrile (CID 153354944) is 4-[5,6-bis(ethenyl)-3-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrazin-2-yl]benzonitrile.
What is the SMILES notation for 4-[5,6-bis(ethenyl)-3-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrazin-2-yl]benzonitrile?
The canonical SMILES for 4-[5,6-bis(ethenyl)-3-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrazin-2-yl]benzonitrile is C=Cc1nc(-c2ccc(C#N)cc2)c(-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(-c5ccccc5)cc4)n3)cc2)nc1C=C.
What is the InChIKey of 4-[5,6-bis(ethenyl)-3-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrazin-2-yl]benzonitrile?
The InChIKey is ILNOXMGBEIDHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4/c1-3-39-40(4-2)48-44(43(47-39)36-17-15-30(29-45)16-18-36)37-25-23-35(24-26-37)42-28-38(32-13-9-6-10-14-32)27-41(46-42)34-21-19-33(20-22-34)31-11-7-5-8-12-31/h3-28H,1-2H2.
What are the key properties of 4-[5,6-bis(ethenyl)-3-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrazin-2-yl]benzonitrile?
4-[5,6-bis(ethenyl)-3-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrazin-2-yl]benzonitrile has a molecular weight of 614.75 g/mol, XLogP of 11.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,6-bis(ethenyl)-3-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrazin-2-yl]benzonitrile is sourced from PubChem (CID 153354944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).